Detailed information for compound 1525178

Basic information

Technical information
  • TDR Targets ID: 1525178
  • Name: N-[2-(4-diethylaminophenyl)-1,3-benzoxazol-5- yl]-2-methylpropanamide
  • MW: 351.442 | Formula: C21H25N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)c1nc2c(o1)ccc(c2)NC(=O)C(C)C)CC
  • InChi: 1S/C21H25N3O2/c1-5-24(6-2)17-10-7-15(8-11-17)21-23-18-13-16(9-12-19(18)26-21)22-20(25)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,25)
  • InChiKey: FXZOALWZEQOWBL-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(4-diethylaminophenyl)-1,3-benzoxazol-5-yl]-2-methyl-propanamide
  • N-[2-(4-diethylaminophenyl)-1,3-benzoxazol-5-yl]-2-methyl-propionamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0917 0.1206 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.1685 0.2475 1
Schistosoma mansoni alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase 0.0554 0.0606 0.0309
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0917 0.1206 0.0639
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Brugia malayi diacylglycerol acyltransferase family protein 0.1685 0.2475 0.2475
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0917 0.1206 0.0928
Brugia malayi diacylglycerol acyltransferase 0.0917 0.1206 0.1206
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0917 0.1206 0.4873
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0917 0.1206 0.4873
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Toxoplasma gondii diacylglycerol acyltransferase 0.0373 0.0306 0.1237
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Onchocerca volvulus 0.1685 0.2475 0.5
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.6235 1 1
Toxoplasma gondii dgat2l1-prov protein 0.1685 0.2475 1
Loa Loa (eye worm) hypothetical protein 0.0763 0.0951 0.0951
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.6235 1 1
Mycobacterium ulcerans hypothetical protein 0.0373 0.0306 0.5
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.1685 0.2475 0.2237
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0917 0.1206 0.1206
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.6235 1 1
Leishmania major diacylglycerol acyltransferase, putative 0.1685 0.2475 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.1685 0.2475 1
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0917 0.1206 0.0639
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.1685 0.2475 1
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.6235 1 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0917 0.1206 0.5
Loa Loa (eye worm) hypothetical protein 0.0554 0.0606 0.0606
Trichomonas vaginalis conserved hypothetical protein 0.0451 0.0435 1
Brugia malayi GNT-I family protein 0.0554 0.0606 0.0606
Toxoplasma gondii mono- or diacylglycerol acyltransferase 0.0373 0.0306 0.1237
Loa Loa (eye worm) diacylglycerol acyltransferase 0.1685 0.2475 0.2475
Loa Loa (eye worm) hypothetical protein 0.0554 0.0606 0.0606

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 12 % Activation of UTRN promoter in mouse H2K cells assessed as upregulation of UTRN production at 10 uM after 48 hrs by luciferase reporter linked assay ChEMBL. 21456623

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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